2,6-dimethyl-4-(triazol-1-yl)pyridine

C9H10N4 — CID 89493479

IUPAC2,6-dimethyl-4-(triazol-1-yl)pyridine
SMILESCc1cc(-n2ccnn2)cc(C)n1
InChIInChI=1S/C9H10N4/c1-7-5-9(6-8(2)11-7)13-4-3-10-12-13/h3-6H,1-2H3
InChIKeyWWUXGOVKLHXCKF-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.28
Rot. Bonds1

About 2,6-dimethyl-4-(triazol-1-yl)pyridine

2,6-dimethyl-4-(triazol-1-yl)pyridine (PubChem CID 89493479) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2,6-dimethyl-4-(triazol-1-yl)pyridine.

Molecular Properties

Compound Name2,6-dimethyl-4-(triazol-1-yl)pyridine
PubChem CID89493479
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2,6-dimethyl-4-(triazol-1-yl)pyridine
SMILESCc1cc(-n2ccnn2)cc(C)n1
InChIInChI=1S/C9H10N4/c1-7-5-9(6-8(2)11-7)13-4-3-10-12-13/h3-6H,1-2H3
InChIKeyWWUXGOVKLHXCKF-UHFFFAOYSA-N
XLogP1.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(triazol-1-yl)pyridine?
The IUPAC name of 2,6-dimethyl-4-(triazol-1-yl)pyridine (CID 89493479) is 2,6-dimethyl-4-(triazol-1-yl)pyridine.
What is the SMILES notation for 2,6-dimethyl-4-(triazol-1-yl)pyridine?
The canonical SMILES for 2,6-dimethyl-4-(triazol-1-yl)pyridine is Cc1cc(-n2ccnn2)cc(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(triazol-1-yl)pyridine?
The InChIKey is WWUXGOVKLHXCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-7-5-9(6-8(2)11-7)13-4-3-10-12-13/h3-6H,1-2H3.
What are the key properties of 2,6-dimethyl-4-(triazol-1-yl)pyridine?
2,6-dimethyl-4-(triazol-1-yl)pyridine has a molecular weight of 174.21 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(triazol-1-yl)pyridine is sourced from PubChem (CID 89493479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).